# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 84.60 11.07 15.11 26.54 122.44 -169.80 -109.64 137.08 99.82 0.16 0.02 99.74 0.09 0.06 0.01 0.00 0.00 0.10 0.01 1 S C C 58.86 7.96 16.57 25.37 117.88 -150.08 -102.13 133.97 87.66 11.67 0.68 83.89 1.87 1.60 0.16 0.35 0.00 11.29 0.83 2 I C C 49.52 15.93 13.75 29.59 117.93 -158.36 -106.46 128.78 62.16 37.12 0.73 48.13 11.45 1.62 0.18 0.56 0.00 36.79 1.28 3 I E E 52.20 12.40 18.22 31.49 116.39 -153.79 -102.13 124.13 26.22 73.24 0.54 22.78 2.83 0.59 0.19 0.33 0.00 71.25 2.04 4 I E E 51.99 15.87 17.07 32.90 118.74 -164.65 -109.77 126.13 22.33 77.48 0.20 19.44 2.34 0.50 0.06 0.15 0.00 75.55 1.96 5 R E E 112.25 8.80 21.15 30.55 122.78 -169.38 -122.91 129.49 38.23 61.72 0.05 34.09 3.09 0.19 0.01 0.04 0.00 62.17 0.41 6 P E E 42.71 16.60 16.79 32.92 115.46 -116.24 -69.06 146.35 47.14 52.71 0.15 42.95 3.02 0.35 0.04 0.11 0.00 52.47 1.06 7 I C C 54.33 13.35 19.41 33.08 110.63 -130.75 -90.96 120.37 63.99 35.77 0.24 55.98 6.57 0.60 0.11 0.18 0.00 29.56 6.99 8 V C C 48.33 16.48 15.27 31.46 116.23 -160.43 -107.80 122.84 85.82 13.98 0.19 76.67 9.02 0.45 0.09 0.11 0.00 11.08 2.58 9 T C C 48.00 7.43 16.54 25.36 131.86 150.56 -127.33 171.65 96.10 3.25 0.65 80.49 15.36 0.50 0.57 0.15 0.00 1.57 1.37 10 E H H 142.58 2.13 15.71 18.48 90.71 -98.70 -59.32 -36.34 15.67 0.21 84.13 2.65 4.55 9.75 80.15 2.59 0.11 0.08 0.12 11 K H H 123.27 2.90 17.34 20.66 92.07 52.62 -65.67 -39.17 14.21 0.25 85.54 2.45 2.41 10.18 81.20 3.40 0.12 0.13 0.11 12 V H H 19.19 17.63 12.47 30.13 93.10 49.07 -67.50 -40.40 9.93 0.44 89.62 3.76 1.78 5.24 84.42 4.32 0.05 0.29 0.14 13 T H H 53.35 10.08 15.82 26.71 92.77 53.30 -63.73 -41.47 9.42 0.46 90.12 4.53 1.68 3.92 86.57 2.85 0.03 0.30 0.13 14 K H H 128.88 1.45 20.47 19.97 92.44 50.00 -65.40 -40.09 11.38 0.49 88.14 4.41 2.01 5.71 85.03 2.35 0.05 0.30 0.15 15 E H H 66.53 7.41 16.41 25.36 92.91 49.87 -66.96 -38.76 9.14 0.43 90.44 3.88 1.70 4.28 87.45 2.28 0.04 0.26 0.12 16 S H H 18.82 16.76 11.23 27.92 92.90 54.19 -65.04 -39.47 8.07 0.29 91.65 3.15 1.28 4.13 87.70 3.44 0.04 0.19 0.08 17 E H H 128.48 2.87 16.28 19.99 93.27 49.41 -68.16 -38.05 8.23 0.18 91.59 1.99 1.07 5.33 87.35 4.03 0.05 0.13 0.06 18 V H H 108.61 1.51 16.21 17.00 95.74 44.10 -74.55 -37.64 12.80 0.20 87.00 1.90 1.73 9.37 83.60 3.11 0.10 0.11 0.09 19 L H H 79.31 7.15 14.31 22.77 99.24 29.84 -98.81 -2.01 34.23 0.27 65.50 3.89 5.81 24.69 62.92 2.29 0.11 0.10 0.19 20 N C T 94.59 6.81 17.40 25.62 94.30 -124.32 57.22 41.51 98.96 0.40 0.63 20.99 8.00 70.19 0.23 0.24 0.00 0.29 0.06 21 R C E 61.15 14.31 17.89 32.42 133.39 128.98 -130.47 153.48 50.60 49.29 0.12 43.97 5.00 0.43 0.03 0.09 0.00 49.61 0.88 22 F E E 27.18 18.62 21.82 40.14 122.03 -134.65 -107.43 139.33 12.55 87.42 0.03 11.96 0.49 0.05 0.01 0.01 0.00 87.18 0.30 23 G E E 7.30 19.42 23.62 42.42 133.58 -172.60 -130.78 154.55 3.75 96.25 0.00 3.55 0.10 0.00 0.00 0.00 0.00 96.28 0.06 24 F E E 10.66 22.84 22.29 44.57 134.32 -171.87 -138.62 148.81 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 25 V E E 41.57 13.18 26.56 40.05 116.84 -137.03 -104.18 126.75 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.66 0.02 26 V E E 7.10 23.96 16.78 40.82 128.88 -173.24 -123.12 148.02 3.57 96.43 0.00 3.54 0.07 0.00 0.00 0.00 0.00 96.15 0.23 27 D C C 47.13 9.34 22.10 32.28 109.50 -106.63 -72.99 129.01 54.19 45.79 0.02 53.67 0.86 0.04 0.00 0.01 0.00 44.67 0.74 28 K C T 98.41 13.13 15.88 29.35 91.92 -138.67 -65.81 -21.26 98.51 0.95 0.54 0.53 4.25 94.02 0.02 0.42 0.00 0.66 0.09 29 K C T 151.17 1.63 21.24 22.06 93.53 60.45 -88.60 -4.10 98.99 0.57 0.45 0.67 3.69 94.73 0.02 0.43 0.00 0.41 0.04 30 A C C 11.29 20.84 9.43 29.96 116.24 119.59 -69.51 142.01 98.61 1.17 0.22 73.50 25.01 0.26 0.09 0.11 0.00 0.47 0.58 31 N C C 76.94 3.64 24.03 26.70 126.68 -144.51 -100.44 166.14 93.59 6.25 0.15 93.25 0.51 0.03 0.12 0.01 0.00 0.88 5.20 32 K H H 88.47 15.53 14.62 29.54 91.31 -101.68 -59.08 -37.97 0.84 0.00 99.16 0.07 0.07 0.58 99.19 0.09 0.00 0.00 0.00 33 V H H 91.88 2.53 21.85 23.57 91.71 52.52 -64.23 -40.92 0.35 0.00 99.65 0.02 0.02 0.27 99.62 0.07 0.00 0.00 0.00 34 Q H H 65.63 8.37 20.74 29.84 91.93 49.23 -65.32 -41.03 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 35 I H H 2.19 26.58 15.37 42.68 91.09 49.52 -63.54 -43.18 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 36 K H H 75.88 14.42 21.44 34.83 91.38 51.59 -61.98 -42.40 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 37 K H H 121.48 2.11 26.03 26.80 91.81 49.54 -64.75 -41.41 0.05 0.00 99.95 0.00 0.00 0.04 99.96 0.00 0.00 0.00 0.00 38 A H H 13.35 14.24 20.85 35.95 91.79 50.33 -64.27 -43.03 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 39 V H H 2.39 26.04 16.59 43.08 91.59 48.09 -64.74 -43.22 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 40 E H H 82.71 10.45 19.41 30.03 91.92 51.02 -63.18 -41.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 41 A H H 77.54 1.99 21.74 22.77 92.10 49.01 -66.12 -39.95 0.12 0.00 99.88 0.00 0.00 0.12 99.84 0.04 0.00 0.00 0.00 42 A H H 33.76 14.39 16.87 31.06 94.70 45.30 -75.03 -37.47 0.83 0.00 99.17 0.01 0.02 0.83 99.07 0.07 0.00 0.00 0.00 43 Y H H 43.67 17.27 14.85 32.16 102.25 23.93 -109.14 -6.51 5.34 0.01 94.64 0.18 0.47 4.50 94.71 0.12 0.01 0.00 0.01 44 G C T 53.20 2.37 22.08 24.08 94.52 -118.79 71.60 26.28 99.62 0.22 0.16 32.73 26.23 40.69 0.07 0.08 0.00 0.13 0.06 45 V C C 20.51 19.65 11.23 30.74 127.40 130.45 -116.20 147.87 92.86 7.11 0.03 74.09 18.85 0.25 0.01 0.03 0.00 6.27 0.51 46 T C C 82.17 3.23 24.54 27.44 113.32 -131.01 -96.01 125.96 84.12 15.87 0.01 83.87 0.68 0.04 0.00 0.01 0.00 15.14 0.25 47 I E E 27.70 22.64 10.94 32.86 111.77 -141.08 -86.99 122.07 20.11 79.87 0.02 21.47 0.20 0.01 0.00 0.01 0.00 77.69 0.62 48 V E E 85.58 3.98 20.88 25.31 99.52 176.12 -91.61 -33.76 19.64 80.35 0.01 11.74 7.85 0.10 0.00 0.01 0.00 80.21 0.10 49 S E E 51.20 4.88 23.29 28.85 140.15 0.34 -155.77 151.70 2.43 97.57 0.00 1.93 0.25 0.01 0.00 0.00 0.00 97.76 0.03 50 V E E 33.04 22.81 11.73 33.30 126.83 -167.28 -133.98 133.06 0.81 99.18 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.02 51 N E E 72.27 5.35 24.47 30.06 128.10 -176.04 -130.69 143.14 1.12 98.88 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.98 0.01 52 T E E 46.52 19.25 13.08 31.16 125.11 -158.78 -121.96 137.14 2.17 97.83 0.00 2.02 0.06 0.00 0.00 0.00 0.00 97.88 0.03 53 M E E 76.99 7.59 19.10 27.89 123.79 -169.59 -122.78 135.91 2.13 97.87 0.00 1.96 0.09 0.00 0.00 0.00 0.00 97.82 0.13 54 N E E 80.92 10.32 15.38 26.65 116.05 -149.18 -102.89 124.29 5.63 94.37 0.01 5.07 0.34 0.01 0.00 0.00 0.00 94.09 0.48 55 V E E 53.27 10.30 13.85 25.77 120.49 -169.75 -113.88 134.06 30.51 69.46 0.03 28.38 1.61 0.08 0.01 0.02 0.00 68.22 1.69 56 R C C 156.47 3.08 16.32 20.64 114.58 -132.17 -83.66 131.42 82.85 17.12 0.03 78.55 2.96 0.12 0.00 0.02 0.00 18.00 0.35 57 P C C 54.97 14.08 9.16 22.87 113.80 -114.63 -69.42 150.84 83.02 16.55 0.43 67.13 11.54 2.85 0.05 0.45 0.00 17.30 0.67 58 D C E 104.97 2.35 15.52 18.45 114.39 -123.82 -89.10 136.62 50.58 48.90 0.53 38.03 10.36 2.54 0.07 0.54 0.00 47.44 1.03 59 R E E 145.07 6.49 10.17 18.58 118.02 -137.12 -101.52 132.90 27.60 72.14 0.26 23.89 3.24 0.48 0.06 0.19 0.00 71.12 1.01 60 S E E 59.84 4.40 12.16 18.40 125.03 -170.75 -123.80 148.28 13.31 86.54 0.15 11.78 1.26 0.24 0.05 0.08 0.00 85.95 0.64 61 T E E 89.90 4.98 9.65 16.89 121.39 -146.32 -112.35 136.92 10.66 89.23 0.11 9.31 0.95 0.19 0.03 0.06 0.00 89.04 0.42 62 K E E 115.96 3.81 10.14 16.10 123.68 -169.69 -122.18 141.12 13.20 86.62 0.17 10.62 1.95 0.46 0.05 0.10 0.00 86.41 0.41 63 Y E E 175.07 1.91 8.73 12.40 115.34 -131.98 -93.98 129.86 23.41 76.31 0.28 18.11 4.48 1.02 0.07 0.21 0.00 75.39 0.71 64 T E E 68.56 3.88 7.40 13.38 128.43 172.29 -122.23 168.91 49.58 49.61 0.81 39.03 7.40 2.81 0.20 0.67 0.00 48.45 1.44 65 K C T 186.66 0.28 8.62 7.80 93.16 -91.01 -64.94 -25.96 95.73 2.32 1.95 11.53 25.79 58.56 0.27 1.59 0.00 1.92 0.33 66 S C T 99.76 0.45 8.29 8.20 98.93 44.10 -95.87 0.98 97.26 0.99 1.75 10.21 23.84 63.19 0.25 1.54 0.00 0.76 0.20 67 G C E 41.14 1.84 11.13 13.90 132.34 -78.62 130.98 -175.81 55.31 44.02 0.67 27.72 22.32 7.05 0.09 0.69 0.00 40.89 1.24 68 L E E 116.16 3.54 8.64 14.19 118.29 -47.61 -98.79 136.91 30.84 69.06 0.10 27.04 2.43 0.43 0.02 0.08 0.00 69.26 0.74 69 I E E 90.08 5.56 10.57 18.24 121.58 -162.73 -115.80 136.58 9.41 90.55 0.04 8.30 0.69 0.11 0.01 0.02 0.00 90.24 0.62 70 S E E 73.55 4.98 11.53 18.84 123.69 -157.14 -114.98 144.07 9.21 90.72 0.06 7.66 1.01 0.22 0.02 0.04 0.00 90.64 0.41 71 G E E 31.52 5.72 13.52 21.05 136.30 165.10 -156.41 173.65 15.27 84.65 0.07 11.45 3.32 0.51 0.01 0.05 0.00 84.32 0.34 72 K E E 130.92 5.06 13.73 20.95 122.34 -106.51 -113.76 141.45 18.61 81.31 0.09 16.46 1.76 0.23 0.03 0.07 0.00 79.15 2.30 73 T C C 51.56 10.99 11.90 23.79 127.96 -167.77 -121.76 153.19 54.39 45.49 0.13 48.93 3.84 0.35 0.04 0.11 0.00 44.51 2.24 74 N C C 108.74 4.18 17.33 22.47 100.53 -116.96 -82.59 32.28 76.42 23.45 0.12 54.14 20.61 1.02 0.02 0.13 0.00 23.35 0.73 75 A C C 32.03 12.43 14.65 28.01 118.19 120.00 -91.68 142.40 72.24 27.66 0.10 54.61 15.99 0.79 0.01 0.11 0.00 27.83 0.65 76 I E E 48.52 13.10 18.70 32.44 125.41 -158.79 -119.34 141.65 15.40 84.57 0.02 13.89 1.15 0.06 0.01 0.02 0.00 83.63 1.24 77 K E E 36.34 17.47 18.98 36.49 123.52 -157.43 -113.65 138.17 4.64 95.35 0.00 4.28 0.19 0.01 0.00 0.00 0.00 95.38 0.14 78 K E E 59.48 13.72 23.23 36.71 125.14 -153.54 -112.29 140.53 2.40 97.59 0.00 2.12 0.13 0.00 0.00 0.00 0.00 97.71 0.04 79 A E E 6.06 22.47 18.81 41.59 126.32 -165.40 -121.50 138.99 0.79 99.21 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.21 0.01 80 I E E 39.80 11.73 25.19 37.77 118.29 -154.71 -110.42 126.29 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.01 81 V E E 6.36 23.86 18.61 42.92 122.02 -168.60 -115.90 132.16 0.34 99.66 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 82 Q E E 66.51 9.36 26.25 36.03 118.45 -159.00 -109.26 129.07 1.97 98.03 0.00 1.88 0.05 0.00 0.00 0.00 0.00 98.03 0.04 83 V E E 10.90 22.71 13.51 36.16 124.38 -164.02 -112.78 143.09 13.38 86.61 0.00 13.57 0.17 0.00 0.00 0.00 0.00 85.40 0.86 84 Q C C 83.01 5.41 20.06 25.87 118.39 -114.24 -74.06 154.34 85.57 14.35 0.08 84.65 0.97 0.14 0.02 0.05 0.00 13.57 0.61 85 E C T 131.90 5.13 14.44 21.45 109.31 -83.63 -60.02 135.18 98.32 1.14 0.54 0.59 4.36 93.75 0.02 0.42 0.00 0.68 0.19 86 G C T 60.45 1.24 16.59 17.19 96.43 21.72 86.47 -4.18 98.94 0.70 0.36 1.19 4.26 93.55 0.01 0.40 0.00 0.53 0.06 87 E C C 68.89 12.28 11.23 24.30 117.64 132.49 -78.41 142.08 91.00 8.79 0.21 87.28 3.43 0.28 0.03 0.18 0.00 8.16 0.64 88 T E C 88.91 4.88 18.25 24.81 120.51 -152.45 -111.99 133.50 45.11 54.75 0.14 45.13 0.80 0.14 0.06 0.08 0.00 43.33 10.47 89 I C C 29.40 19.80 11.51 31.00 119.71 -162.28 -111.38 129.82 50.95 48.91 0.14 49.47 1.35 0.17 0.05 0.09 0.00 46.11 2.75 90 D C C 74.28 5.77 19.68 26.32 108.54 -146.48 -96.37 112.00 69.90 29.59 0.50 67.34 1.88 0.48 0.13 0.29 0.00 28.26 1.62 91 F C C 68.84 15.90 12.57 28.38 97.11 -172.29 -78.49 -17.91 80.81 4.80 14.39 35.03 19.48 27.06 2.39 11.63 0.01 3.39 1.01 92 Y C T 132.74 6.39 13.85 21.44 99.88 61.81 -88.62 -4.23 78.21 4.16 17.64 22.41 21.28 35.57 2.74 14.08 0.02 2.54 1.37 93 N C C 94.09 5.17 11.51 18.33 108.82 86.51 -88.00 99.52 78.31 3.35 18.34 29.69 23.68 25.85 2.79 14.87 0.01 1.98 1.11 94 N C C 111.46 4.38 10.74 16.84 103.73 -142.53 -83.19 49.17 88.52 2.57 8.90 63.69 4.77 20.93 2.27 5.77 0.00 1.62 0.95 95 I C C 95.82 7.45 11.01 19.85 109.66 133.45 -90.69 96.49 99.78 0.19 0.02 99.69 0.13 0.04 0.01 0.00 0.00 0.10 0.02